Geometry & MOs

Info

ID:	356865
PubChem CID:	127292469
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	1.67
IP(EA), eV:	-8.57(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)N2CCCCC2C3=NC=CN3

DOS

IR

Vibrations